Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox

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Revision as of 15:56, 24 November 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 400843689 of page Paxilline for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)

This page contains a copy of the infobox ({{chembox}}) taken from revid 400843689 of page Paxilline with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name (2R,4bS,6aS,12bS,12cR,14aS)-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-chromenoindenoindol-3(4bH)-one
Identifiers
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL410063
ChemSpider	94753
MeSH	Paxilline
PubChem CID	105008
InChI InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1Key: ACNHBCIZLNNLRS-UBGQALKQSA-N InChI=1/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1Key: ACNHBCIZLNNLRS-UBGQALKQBX
SMILES O=C5/C=C6/4(O)CC3Cc2c1ccccc1nc23(4(CC6O5C(O)(C)C)C)C
Properties
Chemical formula	C₂₇H₃₃NO₄
Molar mass	435.56 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Tracking categories (test):

Chemical compound